Common name
2-[ethyl(methyl)amino]acetic acid
IUPAC name
2-[ethyl(methyl)amino]acetic acid
SMILES
C(C(=O)O)N(C)CC
Common name
2-[ethyl(methyl)amino]acetic acid
IUPAC name
2-[ethyl(methyl)amino]acetic acid
SMILES
C(C(=O)O)N(C)CC
INCHI
InChI=1S/C5H11NO2/c1-3-6(2)4-5(7)8/h3-4H2,1-2H3,(H,7,8)
FORMULA
C5H11NO2
Common name
2-[ethyl(methyl)amino]acetic acid
IUPAC name
2-[ethyl(methyl)amino]acetic acid
Molecular weight
117.146
clogP
-0.577
clogS
-0.121
Frequency
0.0014
HBond Acceptor
3
HBond Donor
1
Total PolarSurface Area
40.54
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00113 | Gadodiamide |
|
Contrast Media; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | For intravenous use in MRI to visualize lesions with abnormal vascularity (or those thought to cause abnormalities in the blood-brain barrier) in the brain (intracranial lesions), spine, and associated tissues. |
| FDBD00405 | Gadoversetamide |
|
Contrast Media; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | Gadoversetamide is an MRI contrast agent used for MRI diagnostic procedures to provide increased enhancement and visualization of lesions of the brain, spine and liver, including tumors. |
| FDBD01445 | Gadofosveset trisodium |
|
Contrast Media; Diagnostic Agents; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | Gadofosveset trisodium is indicated for use as a contrast agent in magnetic resonance angiography (MRA) to evaluate aortoiliac occlusive disease (AIOD) in adults with known or suspected peripheral vascular disease. |
| FDBD01555 | Gadoxetate |
|
Contrast Media; Diagnostic Agents; Paramagnetic Contrast Media; Magnetic Resonance Imaging Contrast Media; | Gadoxetate is used as a contrast medium for magnetic resonance imaging (MRI) to detect and characterize lesions in the liver. |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1tmn_ligand_2_6.mol2 | 1tmn | 1 | -5.92 | C(C(=O)O)[NH2+]CC | 7 |
| 1uze_ligand_1_0.mol2 | 1uze | 1 | -5.89 | C([NH2+]CC(=O)O)C | 7 |
| 1o86_ligand_2_14.mol2 | 1o86 | 1 | -5.88 | C(C)[NH2+]CC(=O)O | 7 |
| 2x95_ligand_2_6.mol2 | 2x95 | 1 | -5.76 | [NH2+](CC(=O)O)CC | 7 |
| 2c6n_ligand_2_22.mol2 | 2c6n | 1 | -5.71 | C(C)[NH2+]CC(=O)O | 7 |
| 1cgl_ligand_2_66.mol2 | 1cgl | 1 | -5.69 | CC[NH2+]CC(=O)O | 7 |
| 1j36_ligand_2_14.mol2 | 1j36 | 1 | -5.65 | C(C)[NH2+]CC(=O)O | 7 |
| 1ind_ligand_3_193.mol2 | 1ind | 1 | -5.54 | CC[NH2+]CC(=O)O | 7 |
| 1ind_ligand_3_192.mol2 | 1ind | 1 | -5.53 | CC[NH2+]CC(=O)O | 7 |
148 ,
15
